CID 378556

Nsc661194

Structural Information

Molecular Formula
C23H26Cl2N2O4
SMILES
CC(C)(C(=O)N1CCN(CC1)CCO)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H26Cl2N2O4/c1-23(2,22(30)27-11-9-26(10-12-27)13-14-28)31-20-8-5-17(15-19(20)25)21(29)16-3-6-18(24)7-4-16/h3-8,15,28H,9-14H2,1-2H3
InChIKey
AQKYULZBAHEEFZ-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(4-chlorobenzoyl)phenoxy]-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.12695 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13423 205.3
[M+Na]+ 487.11617 210.3
[M-H]- 463.11967 209.5
[M+NH4]+ 482.16077 211.2
[M+K]+ 503.09011 204.1
[M+H-H2O]+ 447.12421 195.8
[M+HCOO]- 509.12515 207.5
[M+CH3COO]- 523.14080 229.0
[M+Na-2H]- 485.10162 203.2
[M]+ 464.12640 207.6
[M]- 464.12750 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.